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	hartrees
Energy at 0K	-475.603193
Energy at 298.15K
HF Energy	-475.603193
Nuclear repulsion energy	107.889095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3206	3060	4.76	91.45	0.71	0.83
2	A₁	3095	2955	19.35	203.77	0.00	0.01
3	A₁	1548	1478	2.14	33.71	0.74	0.85
4	A₁	1415	1351	0.29	1.68	0.23	0.38
5	A₁	1081	1031	23.98	10.88	0.65	0.79
6	A₁	651	622	4.12	24.01	0.18	0.30
7	A₁	246	235	0.12	3.14	0.67	0.80
8	A₂	3196	3051	0.00	9.95	0.75	0.86
9	A₂	1532	1463	0.00	47.19	0.75	0.86
10	A₂	976	932	0.00	10.55	0.75	0.86
11	A₂	164	157	0.00	0.08	0.75	0.86
12	B₁	3192	3047	19.94	99.06	0.75	0.86
13	B₁	1543	1473	31.46	0.00	0.75	0.86
14	B₁	1011	965	13.36	9.00	0.75	0.86
15	B₁	166	158	1.19	0.07	0.75	0.86
16	B₂	3206	3061	1.15	46.08	0.75	0.86
17	B₂	3098	2957	16.38	0.05	0.75	0.86
18	B₂	1537	1467	25.22	0.00	0.75	0.86
19	B₂	1388	1325	1.10	2.80	0.75	0.86
20	B₂	953	910	0.76	2.46	0.75	0.86
21	B₂	695	664	1.50	14.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.692
C2	0.000	1.419	-0.543
C3	0.000	-1.419	-0.543
H4	0.000	2.338	0.043
H5	0.000	-2.338	0.043
H6	0.899	1.371	-1.160
H7	-0.899	1.371	-1.160
H8	-0.899	-1.371	-1.160
H9	0.899	-1.371	-1.160

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8814	1.8814	2.4260	2.4260	2.4738	2.4738	2.4738	2.4738
C2	1.8814		2.8374	1.0904	3.8019	1.0909	1.0909	2.9952	2.9952
C3	1.8814	2.8374		3.8019	1.0904	2.9952	2.9952	1.0909	1.0909
H4	2.4260	1.0904	3.8019		4.6753	1.7861	1.7861	4.0015	4.0015
H5	2.4260	3.8019	1.0904	4.6753		4.0015	4.0015	1.7861	1.7861
H6	2.4738	1.0909	2.9952	1.7861	4.0015		1.7970	3.2787	2.7424
H7	2.4738	1.0909	2.9952	1.7861	4.0015	1.7970		2.7424	3.2787
H8	2.4738	2.9952	1.0909	4.0015	1.7861	3.2787	2.7424		1.7970
H9	2.4738	2.9952	1.0909	4.0015	1.7861	2.7424	3.2787	1.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.379	S1	C2	H6	109.789
S1	C2	H7	109.789	S1	C3	H5	106.379
S1	C3	H8	109.789	S1	C3	H9	109.789
C2	S1	C3	97.886	H4	C2	H6	109.941
H4	C2	H7	109.941	H5	C3	H8	109.941
H5	C3	H9	109.941	H6	C2	H7	110.900
H8	C3	H9	110.900

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)

using model chemistry: mPW1PW91/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	0.248
2	C	-0.877
3	C	-0.877
4	H	0.259
5	H	0.259
6	H	0.247
7	H	0.247
8	H	0.247
9	H	0.247

<r²>	79.343
(<r²>)^1/2	8.907

All results from a given calculation for CH3SCH3 (Dimethyl sulfide)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)